...
首页> 外文期刊>The Journal of Chemical Physics >Liquid to quasicrystal transition in bilayer water
【24h】

Liquid to quasicrystal transition in bilayer water

机译:双层水中液体到准晶体的转变

获取原文
获取原文并翻译 | 示例
           

摘要

The phase behavior of con.fined water is a topic of intense and current interest due to its relevance in biology, geology, and materials science. Nevertheless, little is known about the phases that water forms even when confined in the simplest geometries, such as water confined between parallel surfaces. Here we use molecular dynamics simulations to compute the phase diagram of two layers of water confined between parallel non hydrogen bonding walls. This study shows that the water bilayer forms a dodecagonal quasicrystal, as well as two previously unreported bilayer crystals, one tiled exclusively by pentagonal rings. Quasicrystals, structures with long-range order but without periodicity, have never before been reported for water. The dodecagonal quasicrystal is obtained from the bilayer liquid through a reversible first-order phase transition and has diffusivity intermediate between that of the bilayer liquid and ice phases. The water quasicrystal and the ice polymorphs based on pentagons are stabilized by compression of the bilayer and are not templated by the confining surfaces, which are smooth. This demonstrates that these novel phases are intrinsically favored in bilayer water and suggests that these structures could be relevant not only for confined water but also for the wetting and properties of water at interfaces.
机译:由于承压水与生物学,地质学和材料科学的相关性,承压水的相行为是一个引起人们广泛关注的话题。但是,对于水的形成阶段知之甚少,即使将其限制在最简单的几何形状中,例如将水限制在平行表面之间。在这里,我们使用分子动力学模拟来计算限制在平行的非氢键壁之间的两层水的相图。这项研究表明,水双层形成十二边形准晶体,以及两个以前未报告的双层晶体,一个仅由五边形环平铺。从未有过关于水的准晶体的研究,该晶体具有长程有序但没有周期性。从双层液体通过可逆的一级相变获得十二边形准晶体,其扩散率介于双层液相和冰相之间。基于五边形的水准晶体和冰多晶型物通过双层的压缩而稳定,并且没有被光滑的约束表面模板化。这表明这些新颖的相在双层水中本质上受青睐,并表明这些结构不仅与承压水有关,而且与界面处水的润湿性和性质有关。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号